1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone
TL;DR: 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone (CAS 333413-55-1) is a chemical compound with molecular formula C14H19NOS and molecular weight 249.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-phenylsulfanylethanone
Also Known As: TimTec1_006675, 1-(azepan-1-yl)-2-(phenylsulfanyl)ethanone, BAS 02949043, 1-(azepan-1-yl)-2-phenylsulfanylethanone, 1-Azepan-1-yl-2-phenylsulfanyl-ethanone
| Molecular Formula | C14H19NOS |
|---|---|
| Molecular Weight | 249.12 g/mol |
| LogP | 3.1813 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.11873 |
| Heavy Atoms | 17 |
| Complexity | 344.49966 |
Chemical Identifiers
| CAS Number | 333413-55-1 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=CC=CC=C2 |
Product Overview
1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone (CAS 333413-55-1), with molecular formula C14H19NOS and molecular weight 249.12 g/mol. IUPAC: 1-(azepan-1-yl)-2-phenylsulfanylethanone.
Chemical Property Profile of 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone
Property Insights of 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone
The XLogP value of 3.1813 indicates that 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone?
The CAS number of 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone is 333413-55-1.
What is the molecular formula of 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone?
The molecular formula of 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone is C14H19NOS.
What is the molecular weight of 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone?
The molecular weight of 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone is 249.12 g/mol.
Where can I buy 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone?
You can request a quote for 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azepan-1-yl)-2-(phenylsulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.